benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate

C13H18N2O5 — CID 18643839

IUPACbenzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate
SMILESCOCOC[C@H](N)C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O5/c1-18-9-19-8-11(14)12(16)15-13(17)20-7-10-5-3-2-4-6-10/h2-6,11H,7-9,14H2,1H3,(H,15,16,17)/t11-/m0/s1
InChIKeyHJIBIONRDJRHTJ-NSHDSACASA-N
MW282.30 g/mol
LogP0.39
Rot. Bonds7

About benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate

benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate (PubChem CID 18643839) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate
PubChem CID18643839
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Namebenzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate
SMILESCOCOC[C@H](N)C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O5/c1-18-9-19-8-11(14)12(16)15-13(17)20-7-10-5-3-2-4-6-10/h2-6,11H,7-9,14H2,1H3,(H,15,16,17)/t11-/m0/s1
InChIKeyHJIBIONRDJRHTJ-NSHDSACASA-N
XLogP0.39
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate
CID 150888209
benzyl N-(2-aminopropanoyl)carbamate
CID 54205140
benzyl N-(methoxymethoxymethylcarbamoyl)carbamate
CID 69094371
benzyl N-(2,5-diaminopentanoyl)carbamate
CID 67793567
benzyl N-(2-amino-3-hydroxybutanoyl)carbamate
CID 19774489
benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate
CID 67860655
[(2S)-2-amino-3-oxo-3-(phenylmethoxycarbonylamino)propyl] 4-methylbenzenesulfonate
CID 88739208
bis(benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate);hydrate
CID 70485700
benzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate
CID 173414355
2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide
CID 143126670
methyl (2R)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 119088438
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 44630138

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate?
The IUPAC name of benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate (CID 18643839) is benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate?
The canonical SMILES for benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate is COCOC[C@H](N)C(=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate?
The InChIKey is HJIBIONRDJRHTJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O5/c1-18-9-19-8-11(14)12(16)15-13(17)20-7-10-5-3-2-4-6-10/h2-6,11H,7-9,14H2,1H3,(H,15,16,17)/t11-/m0/s1.
What are the key properties of benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate?
benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate has a molecular weight of 282.30 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate is sourced from PubChem (CID 18643839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).